SCHEMBL11668680

SCHEMBL11668680

NNc1nc(NN)nc(N(Cc2ccccc2)Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CRHR1 P34998 4/20 0.44
AGTR1 P30556 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
AOC3 Q16853 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IDO1 P14902 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6723521 0.82 KCNH3 (0.54) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL14118021 0.78 KCNH3 (0.46) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL7754258 0.76 NPSR1 (0.57) GAASMN1; SMN2NPSR1
SCHEMBL11292840 0.76 MAPT (0.50) MAPTALDH1A1SMN1; SMN2TSHRAOC3
SCHEMBL16010978 0.75 MAPT (0.49) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL8054907 0.74 KCNH3 (0.52) MAPTKMT2ACRHR1ALDH1A1LMNA
SCHEMBL8633855 0.72 TSHR (0.42) KDM4ECRHR1ALDH1A1LMNASMN1; SMN2
SCHEMBL3393676 0.72 TSHR (0.42) GAAMAPTKMT2AKDM4ECRHR1
SCHEMBL11817842 0.68 GBA1 (0.54) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL11402745 0.68 ALDH1A1 (0.51) MAPTMEN1KMT2ACRHR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52111584-A None JP disclosed
JP-S52111584-A NOVEL HYDRAZINO-S-TRIAZINE DERIVATIVES AND METHOD OF PREPARING THE SAM E TEIJIN LTD 1977-09-19 JP disclosed